1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone

C18H19N5O2S — CID 86266048

IUPAC1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C18H19N5O2S/c24-17(9-14-3-7-26-12-14)23-6-1-2-13(11-23)8-16-21-18(22-25-16)15-10-19-4-5-20-15/h3-5,7,10,12-13H,1-2,6,8-9,11H2
InChIKeyDTDCJIVXKYGFHU-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.61
Rot. Bonds5

About 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone

1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 86266048) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID86266048
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C18H19N5O2S/c24-17(9-14-3-7-26-12-14)23-6-1-2-13(11-23)8-16-21-18(22-25-16)15-10-19-4-5-20-15/h3-5,7,10,12-13H,1-2,6,8-9,11H2
InChIKeyDTDCJIVXKYGFHU-UHFFFAOYSA-N
XLogP2.61
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone (CID 86266048) is 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1.
What is the InChIKey of 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is DTDCJIVXKYGFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c24-17(9-14-3-7-26-12-14)23-6-1-2-13(11-23)8-16-21-18(22-25-16)15-10-19-4-5-20-15/h3-5,7,10,12-13H,1-2,6,8-9,11H2.
What are the key properties of 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 369.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 86266048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).